N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

C15H22BrN — CID 81379211

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESC[C@@H](NC1CCCC1(C)C)c1ccccc1Br
InChIInChI=1S/C15H22BrN/c1-11(12-7-4-5-8-13(12)16)17-14-9-6-10-15(14,2)3/h4-5,7-8,11,14,17H,6,9-10H2,1-3H3/t11-,14?/m1/s1
InChIKeyDSANQMCEQQTIFN-YNODCEANSA-N
MW296.25 g/mol
LogP4.68
Rot. Bonds3

About N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 81379211) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID81379211
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESC[C@@H](NC1CCCC1(C)C)c1ccccc1Br
InChIInChI=1S/C15H22BrN/c1-11(12-7-4-5-8-13(12)16)17-14-9-6-10-15(14,2)3/h4-5,7-8,11,14,17H,6,9-10H2,1-3H3/t11-,14?/m1/s1
InChIKeyDSANQMCEQQTIFN-YNODCEANSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862054
N-[1-(2-bromophenyl)ethyl]-4,4-dimethylthian-3-amine
CID 79951727
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860740
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81383331
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol
CID 79862137
N-[(1S)-1-(2-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81383561
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine
CID 79862070
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (CID 81379211) is N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is C[C@@H](NC1CCCC1(C)C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is DSANQMCEQQTIFN-YNODCEANSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11(12-7-4-5-8-13(12)16)17-14-9-6-10-15(14,2)3/h4-5,7-8,11,14,17H,6,9-10H2,1-3H3/t11-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 81379211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).